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	hartrees
Energy at 0K	-5182.716264
Energy at 298.15K
HF Energy	-5182.716264
Nuclear repulsion energy	348.667538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3150	3027	2.48	87.54	0.08	0.15
2	A₁	1447	1391	0.45	13.24	0.73	0.85
3	A₁	573	551	5.06	14.26	0.09	0.16
4	A₁	173	166	0.07	4.88	0.43	0.61
5	A₂	1118	1074	0.00	7.26	0.75	0.86
6	B₁	3246	3119	0.55	55.08	0.75	0.86
7	B₁	806	775	4.58	2.54	0.75	0.86
8	B₂	1220	1173	74.33	1.18	0.75	0.86
9	B₂	618	594	105.80	5.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.946
H2	-0.903	0.000	1.547
H3	0.903	0.000	1.547
Br4	0.000	1.629	-0.125
Br5	0.000	-1.629	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0848	1.0848	1.9498	1.9498
H2	1.0848		1.8063	2.5032	2.5032
H3	1.0848	1.8063		2.5032	2.5032
Br4	1.9498	2.5032	2.5032		3.2585
Br5	1.9498	2.5032	2.5032	3.2585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.723	H2	C1	Br4	107.717
H2	C1	Br5	107.717	H3	C1	Br4	107.717
H3	C1	Br5	107.717	Br4	C1	Br5	113.355

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.227
2	H	0.193
3	H	0.193
4	Br	-0.079
5	Br	-0.079

	x	y	z	Total
	0.000	0.000	1.548	1.548
CHELPG
AIM
ESP

<r²>	225.075
(<r²>)^1/2	15.002

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)